SCHEMBL23484458

SCHEMBL23484458

C/C=C\c1ccccc1Oc1ccc(C(=O)c2ccc(Oc3ccccc3/C=C\N)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
HTT P42858 2/20 0.48
MAOB P27338 1/20 0.46
LMNA P02545 4/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PARP10 Q53GL7 3/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
SRD5A2 P31213 3/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TLR4 O00206 1/20 0.40
TLR2 O60603 1/20 0.40
ELANE P08246 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL158896 0.93 GAA (0.55) GAAHTTMAOBLMNAALDH1A1
SCHEMBL29399051 0.93 GAA (0.55) GAAHTTMAOBLMNAALDH1A1
SCHEMBL12227188 0.93 GAA (0.55) GAAHTTMAOBLMNAALDH1A1
SCHEMBL29533606 0.93 GAA (0.55) GAAHTTMAOBLMNAALDH1A1
SCHEMBL158895 0.93 GAA (0.55) GAAHTTMAOBLMNAALDH1A1
SCHEMBL25498288 0.93 GAA (0.55) GAAHTTMAOBLMNAALDH1A1
SCHEMBL9504456 0.90 GAA (0.56) GAAHTTMAOBLMNAALDH1A1
SCHEMBL9504448 0.90 GAA (0.56) GAAHTTMAOBLMNAALDH1A1
SCHEMBL25498275 0.88 GAA (0.50) GAAHTTMAOBLMNAALDH1A1
SCHEMBL9504411 0.84 GAA (0.49) GAAHTTMAOBLMNAALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021113415-A1 LOW DK COPPER CLAD LAMINATE COMPOSITIONS DESIGNER MOLECULES, INC (US) 2021-06-10 WO disclosed